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BDBM50087415 2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-2-methyl-hexanoic acid 0.75H2O.0.025CH3CO2H::CHEMBL288461

SMILES: CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O

InChI Key: InChIKey=LWIYDZZBJFGEHO-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50087415   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087415
PNG
(2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O
Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>7.50E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087415
PNG
(2-Carbamoyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O
Show InChI InChI=1S/C14H21N5O4/c1-14(12(15)21,13(22)23)4-2-3-5-19-8-18-10-9(20)6-16-7-17-11(10)19/h7-9,20H,2-6H2,1H3,(H2,15,21)(H,16,17)(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+3n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


Article DOI: 10.1021/jm9905413
BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair